methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate

C8H15NO4 — CID 87502135

IUPACmethyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(C)=O)[C@H](C)OC
InChIInChI=1S/C8H15NO4/c1-5(10)7(6(2)12-3)9-8(11)13-4/h6-7H,1-4H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyRFJVNOOYMBIKRU-NKWVEPMBSA-N
MW189.21 g/mol
LogP0.33
Rot. Bonds4

About methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate

methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate (PubChem CID 87502135) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
PubChem CID87502135
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(C)=O)[C@H](C)OC
InChIInChI=1S/C8H15NO4/c1-5(10)7(6(2)12-3)9-8(11)13-4/h6-7H,1-4H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyRFJVNOOYMBIKRU-NKWVEPMBSA-N
XLogP0.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate?
The IUPAC name of methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate (CID 87502135) is methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate?
The canonical SMILES for methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate is COC(=O)N[C@H](C(C)=O)[C@H](C)OC.
What is the InChIKey of methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate?
The InChIKey is RFJVNOOYMBIKRU-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(10)7(6(2)12-3)9-8(11)13-4/h6-7H,1-4H3,(H,9,11)/t6-,7+/m0/s1.
What are the key properties of methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate?
methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate has a molecular weight of 189.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate is sourced from PubChem (CID 87502135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).